4-[(3R,4S)-4-(4-hydroxycyclohexyl)hexan-3-yl]cyclohexan-1-ol

C18H34O2 — CID 12561670

IUPAC4-[(3R,4S)-4-(4-hydroxycyclohexyl)hexan-3-yl]cyclohexan-1-ol
SMILESCC[C@H](C1CCC(O)CC1)[C@@H](CC)C1CCC(O)CC1
InChIInChI=1S/C18H34O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h13-20H,3-12H2,1-2H3/t13?,14?,15?,16?,17-,18+
InChIKeyWEWXCETUQCZGAO-OJXIMMSJSA-N
MW282.47 g/mol
LogP4.14
Rot. Bonds5

About 4-[(3R,4S)-4-(4-hydroxycyclohexyl)hexan-3-yl]cyclohexan-1-ol

4-[(3R,4S)-4-(4-hydroxycyclohexyl)hexan-3-yl]cyclohexan-1-ol (PubChem CID 12561670) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 4-[(3R,4S)-4-(4-hydroxycyclohexyl)hexan-3-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(3R,4S)-4-(4-hydroxycyclohexyl)hexan-3-yl]cyclohexan-1-ol
PubChem CID12561670
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name4-[(3R,4S)-4-(4-hydroxycyclohexyl)hexan-3-yl]cyclohexan-1-ol
SMILESCC[C@H](C1CCC(O)CC1)[C@@H](CC)C1CCC(O)CC1
InChIInChI=1S/C18H34O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h13-20H,3-12H2,1-2H3/t13?,14?,15?,16?,17-,18+
InChIKeyWEWXCETUQCZGAO-OJXIMMSJSA-N
XLogP4.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R,4S)-4-(4-hydroxycyclohexyl)hexan-3-yl]cyclohexan-1-ol?
The IUPAC name of 4-[(3R,4S)-4-(4-hydroxycyclohexyl)hexan-3-yl]cyclohexan-1-ol (CID 12561670) is 4-[(3R,4S)-4-(4-hydroxycyclohexyl)hexan-3-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(3R,4S)-4-(4-hydroxycyclohexyl)hexan-3-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[(3R,4S)-4-(4-hydroxycyclohexyl)hexan-3-yl]cyclohexan-1-ol is CC[C@H](C1CCC(O)CC1)[C@@H](CC)C1CCC(O)CC1.
What is the InChIKey of 4-[(3R,4S)-4-(4-hydroxycyclohexyl)hexan-3-yl]cyclohexan-1-ol?
The InChIKey is WEWXCETUQCZGAO-OJXIMMSJSA-N. The full InChI is InChI=1S/C18H34O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h13-20H,3-12H2,1-2H3/t13?,14?,15?,16?,17-,18+.
What are the key properties of 4-[(3R,4S)-4-(4-hydroxycyclohexyl)hexan-3-yl]cyclohexan-1-ol?
4-[(3R,4S)-4-(4-hydroxycyclohexyl)hexan-3-yl]cyclohexan-1-ol has a molecular weight of 282.47 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R,4S)-4-(4-hydroxycyclohexyl)hexan-3-yl]cyclohexan-1-ol is sourced from PubChem (CID 12561670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).